## re_MullikenAtoms ##
## Match0 ##

## Match1 ##
     1  O   -0.573175
     2  H    0.286494
     3  H    0.286681
## re_MullikenHeavy ##
## Match0 ##

## Match1 ##
     1  O    0.000000
## Split Here ##
## re_MullikenAtoms ##
## Match0 ##
 and spin densities
## Match1 ##
     1  Cu   0.526646   0.568946
     2  N   -0.484706   0.064978
     3  C   -0.113815   0.000177
     4  H    0.188903   0.000104
     5  O   -0.474325   0.001596
     6  F   -0.293812  -0.000079
     7  F   -0.302021   0.000174
     8  O   -0.477472   0.002038
     9  N   -0.482904   0.060796
    10  C   -0.077988   0.002596
    11  H    0.204572   0.000189
    12  H    0.200597  -0.000121
    13  C    0.627685  -0.005334
    14  O   -0.655873   0.158794
    15  F   -0.307247   0.000629
    16  O   -0.645489   0.126634
    17  F   -0.304665   0.000198
    18  C   -0.104689   0.001329
    19  F   -0.306064   0.000277
    20  C    0.625667  -0.003774
    21  C   -0.078313   0.003042
    22  H    0.201595   0.000316
    23  H    0.200362  -0.000174
    24  F   -0.289576   0.000021
    25  F   -0.291643   0.000138
    26  C   -0.105024  -0.000635
    27  H    0.203996  -0.000102
    28  F   -0.293226  -0.000010
    29  F   -0.301545   0.001610
    30  F   -0.304166  -0.000076
    31  F   -0.283885  -0.000169
    32  F   -0.288582  -0.000035
    33  C    0.169050   0.000458
    34  C   -0.183382  -0.000212
    35  H    0.164399  -0.000081
    36  C   -0.147020   0.000071
    37  H    0.156923  -0.000002
    38  C   -0.146649  -0.000201
    39  H    0.154350   0.000009
    40  C   -0.151131   0.000074
    41  H    0.153988  -0.000002
    42  C   -0.207965  -0.000276
    43  H    0.154384   0.000025
    44  C   -0.476278  -0.000307
    45  H    0.187717   0.000020
    46  H    0.187488  -0.000014
    47  H    0.186652   0.000006
    48  C   -0.477836  -0.000502
    49  H    0.190946  -0.000033
    50  H    0.196746  -0.000002
    51  H    0.189763   0.000041
    52  C    0.171987   0.000395
    53  C   -0.211512  -0.000206
    54  H    0.151420   0.000016
    55  C   -0.152769   0.000024
    56  H    0.151028   0.000001
    57  C   -0.147828  -0.000156
    58  H    0.151946   0.000007
    59  C   -0.153293   0.000011
    60  H    0.152164  -0.000002
    61  C   -0.175530  -0.000202
    62  H    0.157191  -0.000027
    63  C   -0.048953  -0.006223
    64  H    0.200125   0.007381
    65  C    0.897578   0.002435
    66  C    0.905368   0.004058
    67  C   -0.050562  -0.004886
    68  H    0.164516   0.005415
    69  C    0.905229   0.009108
    70  C    0.916753  -0.000296
## re_MullikenHeavy ##
## Match0 ##
 and spin densities
## Match1 ##
     1  Cu   0.526646   0.568946
     2  N   -0.484706   0.064978
     3  C    0.075088   0.000281
     5  O   -0.474325   0.001596
     6  F   -0.293812  -0.000079
     7  F   -0.302021   0.000174
     8  O   -0.477472   0.002038
     9  N   -0.482904   0.060796
    10  C    0.327181   0.002664
    13  C    0.627685  -0.005334
    14  O   -0.655873   0.158794
    15  F   -0.307247   0.000629
    16  O   -0.645489   0.126634
    17  F   -0.304665   0.000198
    18  C   -0.104689   0.001329
    19  F   -0.306064   0.000277
    20  C    0.625667  -0.003774
    21  C    0.323644   0.003184
    24  F   -0.289576   0.000021
    25  F   -0.291643   0.000138
    26  C    0.098973  -0.000736
    28  F   -0.293226  -0.000010
    29  F   -0.301545   0.001610
    30  F   -0.304166  -0.000076
    31  F   -0.283885  -0.000169
    32  F   -0.288582  -0.000035
    33  C    0.169050   0.000458
    34  C   -0.018983  -0.000293
    36  C    0.009904   0.000070
    38  C    0.007702  -0.000192
    40  C    0.002856   0.000071
    42  C   -0.053581  -0.000251
    44  C    0.085579  -0.000295
    48  C    0.099619  -0.000496
    52  C    0.171987   0.000395
    53  C   -0.060092  -0.000189
    55  C   -0.001741   0.000025
    57  C    0.004118  -0.000149
    59  C   -0.001129   0.000009
    61  C   -0.018339  -0.000229
    63  C    0.151172   0.001158
    65  C    0.897578   0.002435
    66  C    0.905368   0.004058
    67  C    0.113954   0.000529
    69  C    0.905229   0.009108
    70  C    0.916753  -0.000296
## Split Here ##
## re_MullikenAtoms ##
## Match0 ##
 and spin densities
## Match1 ##
     1  N    0.982479   0.351009
     2  C   -0.245427  -0.020062
     3  C    0.058476   0.090905
     4  C    0.039766   0.089104
     5  C   -0.627911  -0.054102
     6  H    0.198010  -0.004756
     7  C   -0.547249  -0.062301
     8  H    0.163877  -0.004977
     9  C    0.523578   0.119154
    10  H    0.167210   0.002648
    11  H    0.161179   0.002559
    12  C   -0.216911  -0.010965
    13  C   -0.082734   0.094812
    14  C   -0.004107   0.089796
    15  C   -0.526973  -0.063358
    16  H    0.235535  -0.005132
    17  C   -0.476819  -0.058535
    18  H    0.158511  -0.005105
    19  C    0.511854   0.125059
    20  H    0.170271   0.002906
    21  H    0.159974   0.002304
    22  C    0.059794   0.008435
    23  C    0.179318   0.106383
    24  C   -0.128359   0.101189
    25  C   -0.824419  -0.067798
    26  H    0.212983  -0.006129
    27  C   -0.514624  -0.067252
    28  H    0.159319  -0.005724
    29  C    0.556685   0.156551
    30  H    0.170483   0.003027
    31  H    0.159614   0.002556
    32  Br  -0.068041   0.023020
    33  Br  -0.054831   0.035701
    34  Br  -0.068633   0.025917
    35  B    0.997942  -0.001285
    36  F   -0.410949   0.002470
    37  F   -0.363888   0.000045
    38  F   -0.423637   0.001338
    39  F   -0.441350   0.000591
## re_MullikenHeavy ##
## Match0 ##
 and spin densities
## Match1 ##
     1  N    0.982479   0.351009
     2  C   -0.245427  -0.020062
     3  C    0.256486   0.086149
     4  C    0.203644   0.084127
     5  C   -0.460701  -0.051453
     7  C   -0.386070  -0.059741
     9  C    0.523578   0.119154
    12  C   -0.216911  -0.010965
    13  C    0.152801   0.089680
    14  C    0.154405   0.084692
    15  C   -0.356702  -0.060452
    17  C   -0.316844  -0.056230
    19  C    0.511854   0.125059
    22  C    0.059794   0.008435
    23  C    0.392301   0.100254
    24  C    0.030960   0.095465
    25  C   -0.653935  -0.064771
    27  C   -0.355009  -0.064696
    29  C    0.556685   0.156551
    32  Br  -0.068041   0.023020
    33  Br  -0.054831   0.035701
    34  Br  -0.068633   0.025917
    35  B    0.997942  -0.001285
    36  F   -0.410949   0.002470
    37  F   -0.363888   0.000045
    38  F   -0.423637   0.001338
    39  F   -0.441350   0.000591
## Split Here ##
## re_MullikenAtoms ##
## Match0 ##
 and spin densities
## Match1 ##
     1  Au   0.029504   0.320714
     2  P    0.624303   0.179243
     3  Cl  -0.594574   0.070433
     4  Cl  -0.591276   0.241521
    56  C   -0.477657  -0.001244
    57  H    0.153304   0.000206
    58  H    0.172122   0.000933
    59  H    0.155406   0.000335
## re_MullikenHeavy ##
## Match0 ##
 and spin densities
## Match1 ##
     1  Au   0.029504   0.320714
     2  P    0.624303   0.179243
     3  Cl  -0.594574   0.070433
     4  Cl  -0.591276   0.241521
    45  C    0.405163   0.018296
    48  C   -0.196362   0.002904
    52  C   -0.081625  -0.004627
    56  C    0.003176   0.000230